[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-methylsulfanylbenzoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-methylsulfanylbenzoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H25N3O4S2/c1-5-12-24-18-11-10-15(30(26,27)23(2)3)13-17(18)22-20(24)14-28-21(25)16-8-6-7-9-19(16)29-4/h6-11,13H,5,12,14H2,1-4H3